[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-(trifluoromethyl)-1-benzimidazolyl]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H18F3N3O4S MolecularWeight: 465.44553

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)SC

InChI

InChI=1S/C21H18F3N3O4S/c1-12(28)25-15-9-13(7-8-18(15)32-2)17(29)11-31-19(30)10-27-16-6-4-3-5-14(16)26-20(27)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,28)